CID 9589304

(1-methyl-2-piperidinylidene)thiourea

Structural Information

Molecular Formula
C7H13N3S
SMILES
CN\1CCCC/C1=N\C(=S)N
InChI
InChI=1S/C7H13N3S/c1-10-5-3-2-4-6(10)9-7(8)11/h2-5H2,1H3,(H2,8,11)/b9-6+
InChIKey
DJIPCSXZWOUNKX-RMKNXTFCSA-N
Compound name
(E)-(1-methylpiperidin-2-ylidene)thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

171.08302 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.09030 136.7
[M+Na]+ 194.07224 142.2
[M-H]- 170.07574 139.3
[M+NH4]+ 189.11684 156.1
[M+K]+ 210.04618 139.9
[M+H-H2O]+ 154.08028 129.9
[M+HCOO]- 216.08122 153.1
[M+CH3COO]- 230.09687 183.3
[M+Na-2H]- 192.05769 138.0
[M]+ 171.08247 131.8
[M]- 171.08357 131.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.